2026-02-14_00000513|ligand|9VUV

Crystal structure of SADS-CoV main protease (Lys35Val/Cys224Ser) in complex with SY110; X-ray diffraction 2.00Å
Protein #1 301 residues (100% resolved)

AGLKKMAQPSGLVEPCVVRVSYGNTVLNGVWLDDVVYCPRHVLASDTTVTIDYDAVYHSMRLHNFSISKGNVFLGVVGAVMQGANLVITVSQANVNTPSYSFRTLKAGECFNILACYDGTPAGVYGVNLRSTHTIKGSFVNGACGSPGFVMNGHKVEFVYMHQIELGNASHVGSDMFGNIYGGFEDQPSIQLEGVATLITENVIAFLYAALINGERWWCSNERSTIDSFNEWALGNGFTNLVSGDGFSMLAAKTGVDVCQLLSAIQRLATGLGGKTILGYASLTDEYTLSEVVRQMYGVNI

AGLKKMAQPSGLVEPCVVRVSYGNTVLNGVWLDDVVYCPRHVLASDTTVTIDYDAVYHSMRLHNFSISKGNVFLGVVGAVMQGANLVITVSQANVNTPSYSFRTLKAGECFNILACYDGTPAGVYGVNLRSTHTIKGSFVNGACGSPGFVMNGHKVEFVYMHQIELGNASHVGSDMFGNIYGGFEDQPSIQLEGVATLITENVIAFLYAALINGERWWCSNERSTIDSFNEWALGNGFTNLVSGDGFSMLAAKTGVDVCQLLSAIQRLATGLGGKTILGYASLTDEYTLSEVVRQMYGVNI
Non polymer #2 LVX

InChI=1S/C25H32F2N4O5S/c1-36-15-19(31-22(33)17-8-5-9-25(26,27)13-17)23(34)30-18(12-16-6-3-2-4-7-16)21(32)24(35)29-14-20-28-10-11-37-20/h2-4,6-7,10-11,17-19,21,32H,5,8-9,12-15H2,1H3,(H,29,35)(H,30,34)(H,31,33)/t17-,18-,19-,21+/m1/s1

COC[C@H](C(=O)N[C@H](Cc1ccccc1)[C@@H](C(=O)NCc2nccs2)O)NC(=O)[C@@H]3CCCC(C3)(F)F
Non polymer #3 P33

InChI=1S/C14H30O8/c15-1-3-17-5-7-19-9-11-21-13-14-22-12-10-20-8-6-18-4-2-16/h15-16H,1-14H2

C(COCCOCCOCCOCCOCCOCCO)O
Non polymer #4 PG4

InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2

C(COCCOCCOCCO)O
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Reference